Inorganic Solid Phases

(ND4)2V0.45Zn0.55(SO4)2·6D2O ([ND4]2Zn0.55V0.45[SO4]2[D2O]6, T = 5.8 K) Crystal Structure

General Information

  • Phase Label(s): [ND4]2Zn0.55V0.45[SO4]2[D2O]6
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: mP38
  • Space Group: 14
  • Phase Prototype: [NH4]2Mg[SO4]2[H2O]6-b
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; France, Grenoble, Institut Laue-Langevin ILL, D15 (determination of structural parameters), neutrons; λ = 0.1176 nm (determination of cell and structural parameters), T = 5.8 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): sulfate, hydrate-D
  • Interpretation Detail(s): complete structure determined, full-matrix least-squares refinement; 102 variables; 857 reflections; I > 3σ(I), R = 0.027
  • Sample Detail(s): sample prepared from [VO]SO4, H2SO4, [NH4]2SO4, Zn, single crystal (determination of cell parameters), single crystal, 2×3.5×4 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: [ND4]2Zn0.55V0.45[SO4]2[D2O]6
  • Alphabetic Formula: [D2O]6[ND4]2[SO4]2V0.45Zn0.55
  • Published Formula: (ND4)2V0.45Zn0.55(SO4)2·6D2O
  • Refined Formula: D20N2O14S2V0.45Zn0.55
  • Wyckoff Sequence: 14,e9b
  • Z Formula Units: 2
  • Density: ρ = 2.05 Mg·m−3

Crystallographic Data

Cell Parameters

Published Data
Standardized Data
Unit Cell
Niggli-Reduced Cell
Space Group
a
b
c
α
β
γ
a/b
b/c
c/a
V

Atom Coordinates

Standardized

Site
Element
Wyckoff Symbol
Symmetry
X
Y
Z
Occupation
Co-ord. No.
Atomic Env.

Published

Site
Element
Wyckoff Symbol
Symmetry
X
Y
Z
Occupation

Displacement Parameters

Isotropic

Site
Published
U [nm2]
Type
Computed
Beq [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1910724

  • Copyright

    ©Springer & Material Phases Data System (MPDS), Switzerland & National Institute for Materials Science (NIMS), Japan, 2016

  • Chief Editor

    Pierre Villars, Material Phases Data System (MPDS), CH-6354 Vitznau, Switzerland

    villars.mpds@bluewin.ch

  • Credits

    SpringerMaterials Release 2016.

    Data generated pre-2002: © Springer & MPDS & NIMS; post-2001: © Springer & MPDS

    All Rights Reserved. Version 2016.10.

    Project Coordinator: Shuichi Iwata

    Section-Editor: Karin Cenzual (Crystal Structures)

  • Cite this content

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